3,4-ESTRONE QUINONE

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C(=O)C(=O)C=C4

InChIKey=REMSDZFYMQQJFD-QDTBLXIISA-N

InChI=1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

PubMed

Title	Date	PubMed
Estrogen-nucleic acid adducts: guanine is major site for interaction between 3,4-estrone quinone and COIII gene.	1997 Jun	9214609
Characterisation of estrone-nucleic acid adducts formed by reaction of 3,4-estrone-o-quinone with 2'-deoxynucleosides/deoxynucleotides using capillary liquid chromatography/electrospray ionization mass spectrometry.	2004	15384136
Comparison of estrogen-derived ortho-quinone and para-quinol concerning induction of oxidative stress.	2007 Jun-Jul	17582759

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:55:03 UTC 2023` Edited by `admin` on `Sat Dec 16 18:55:03 UTC 2023`
Record UNII	3U2V78OM3M
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

3,4-ESTRONE QUINONE

Common Name

English

ESTRA-1,5(10)-DIENE-3,4,17-TRIONE

Systematic Name

English

J528.646H

Code

English

(8R,9S,13S,14S)-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA(A)PHENANTHRENE-3,4,17-TRIONE

Systematic Name

English

3,4-ESTRONE O-QUINONE

Common Name

English

1,5(10)-ESTRADIENE-3,4,17-TRIONE

Systematic Name

English

Code System Code Type Description

CHEBI

87263